BDBM50002975 4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclohexylmethyl-2-hydroxy-4-(pyridin-2-ylsulfanyl)-butylcarbamoyl]-butylcarbamoyl}-2-phenyl-ethyl ester::CHEMBL325721

SMILES: CCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1

InChI Key: InChIKey=LVGMKZGFMFKDTM-PTMYVKAOSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50002975   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Pepsin A (Porcine)	BDBM50002975 (4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...) Show SMILES CCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 Show InChI InChI=1S/C36H53N5O5S/c1-2-11-29(39-35(44)32(25-27-14-7-4-8-15-27)46-36(45)41-21-17-28(37)18-22-41)34(43)40-30(24-26-12-5-3-6-13-26)31(42)19-23-47-33-16-9-10-20-38-33/h4,7-10,14-16,20,26,28-32,42H,2-3,5-6,11-13,17-19,21-25,37H2,1H3,(H,39,44)(H,40,43)/t29?,30-,31-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured on porcine pepsin.				J Med Chem 35: 3525-36 (1992) BindingDB Entry DOI: 10.7270/Q2DB80S4
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50002975 (4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...) Show SMILES CCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 Show InChI InChI=1S/C36H53N5O5S/c1-2-11-29(39-35(44)32(25-27-14-7-4-8-15-27)46-36(45)41-21-17-28(37)18-22-41)34(43)40-30(24-26-12-5-3-6-13-26)31(42)19-23-47-33-16-9-10-20-38-33/h4,7-10,14-16,20,26,28-32,42H,2-3,5-6,11-13,17-19,21-25,37H2,1H3,(H,39,44)(H,40,43)/t29?,30-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured on bovine cathepsin D				J Med Chem 35: 3525-36 (1992) BindingDB Entry DOI: 10.7270/Q2DB80S4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50002975 (4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...) Show SMILES CCCC(NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1 Show InChI InChI=1S/C36H53N5O5S/c1-2-11-29(39-35(44)32(25-27-14-7-4-8-15-27)46-36(45)41-21-17-28(37)18-22-41)34(43)40-30(24-26-12-5-3-6-13-26)31(42)19-23-47-33-16-9-10-20-38-33/h4,7-10,14-16,20,26,28-32,42H,2-3,5-6,11-13,17-19,21-25,37H2,1H3,(H,39,44)(H,40,43)/t29?,30-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	5.5	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.				J Med Chem 35: 3525-36 (1992) BindingDB Entry DOI: 10.7270/Q2DB80S4
					More data for this Ligand-Target Pair